EINECS 251-721-4
TL;DR: EINECS 251-721-4 (CAS 39695-34-6) is a chemical compound with molecular formula C16H26Cl2N2 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine;dihydrochloride
Also Known As: EINECS 251-721-4, 5-(4-Methylpiperazino)-6,7,8,9-tetrahydro-5H-benzocycloheptene dihydrochloride, 1-Methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)piperazine dihydrochloride, Piperazine, 1-methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-, dihydrochloride, 1-methyl-4-(6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl)piperazine dihydrochloride
| Molecular Formula | C16H26Cl2N2 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 3.5451 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.1473 |
| Heavy Atoms | 20 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 39695-34-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2CCCCC3=CC=CC=C23.Cl.Cl |
| InChIKey | VWUCRAFXBFKSMH-UHFFFAOYSA-N |
Product Overview
EINECS 251-721-4 (CAS 39695-34-6), with molecular formula C16H26Cl2N2 and molecular weight 316.15 g/mol. IUPAC: 1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine;dihydrochloride.
Chemical Property Profile of EINECS 251-721-4
Property Insights of EINECS 251-721-4
The XLogP value of 3.5451 indicates that EINECS 251-721-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, EINECS 251-721-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 251-721-4 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 251-721-4?
The CAS number of EINECS 251-721-4 is 39695-34-6.
What is the molecular formula of EINECS 251-721-4?
The molecular formula of EINECS 251-721-4 is C16H26Cl2N2.
What is the molecular weight of EINECS 251-721-4?
The molecular weight of EINECS 251-721-4 is 316.15 g/mol.
Where can I buy EINECS 251-721-4?
You can request a quote for EINECS 251-721-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 251-721-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 251-721-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.